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Information card for entry 4003384
Preview
| Coordinates | 4003384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H12 F N6 O3 P |
|---|---|
| Calculated formula | C2 H12 F N6 O3 P |
| Title of publication | Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials |
| Authors of publication | Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 7823 |
| a | 13.2025 ± 0.0014 Å |
| b | 7.2951 ± 0.0007 Å |
| c | 11.7574 ± 0.0012 Å |
| α | 90° |
| β | 119.71 ± 0.004° |
| γ | 90° |
| Cell volume | 983.54 ± 0.18 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231558 (current) | 2019-11-22 | cif/ Adding structures of 4003384 via cif-deposit CGI script. |
4003384.cif |
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Users of the data should acknowledge the original authors of the
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